CID 72219426

2121514-67-6

Structural Information

Molecular Formula
C12H16BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)O)F
InChI
InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(15)10(8)14/h5-7,15H,1-4H3
InChIKey
YMBJGACWPPFGDC-UHFFFAOYSA-N
Compound name
2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

238.11765 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12493 145.7
[M+Na]+ 261.10687 156.2
[M-H]- 237.11037 152.4
[M+NH4]+ 256.15147 166.8
[M+K]+ 277.08081 155.9
[M+H-H2O]+ 221.11491 141.3
[M+HCOO]- 283.11585 164.7
[M+CH3COO]- 297.13150 189.4
[M+Na-2H]- 259.09232 151.1
[M]+ 238.11710 147.5
[M]- 238.11820 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe